| SpectraBase Compound ID | BaOI3pDNqsg |
|---|---|
| InChI | InChI=1S/C38H54O9/c1-25-18-23-33(42-6)32(41-5)17-13-12-16-31(29-14-10-9-11-15-29)46-37(39)27(3)38(44-8)36(43-7)35(26(2)34(25)47-38)45-24-28-19-21-30(40-4)22-20-28/h9-11,14-15,18-23,25-27,31-36H,12-13,16-17,24H2,1-8H3/b23-18+/t25-,26+,27+,31-,32-,33+,34-,35-,36+,38+/m0/s1 |
| InChIKey | LPDOKQCKQLJGRU-LHUHMIOSSA-N |
| Mol Weight | 654.8 g/mol |
| Molecular Formula | C38H54O9 |
| Exact Mass | 654.376783 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HONJbEtgAAo |
|---|---|
| Name | 5-O-(4'-Methoxybenzyl)-3-O-methylsoraphen |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H54O9 |
| InChI | InChI=1S/C38H54O9/c1-25-18-23-33(42-6)32(41-5)17-13-12-16-31(29-14-10-9-11-15-29)46-37(39)27(3)38(44-8)36(43-7)35(26(2)34(25)47-38)45-24-28-19-21-30(40-4)22-20-28/h9-11,14-15,18-23,25-27,31-36H,12-13,16-17,24H2,1-8H3/b23-18+/t25-,26+,27+,31-,32-,33+,34-,35-,36+,38+/m0/s1 |
| InChIKey | LPDOKQCKQLJGRU-LHUHMIOSSA-N |
| Molecular Weight | 654.841 g/mol |
| SMILES | [C@@]12([C@@]([C@]([C@](C)([C@@](O2)([C@](\C=C\[C@]([C@@](OC)(CCCC[C@](OC([C@]1(C)[H])=O)(c1ccccc1)[H])[H])(OC)[H])(C)[H])[H])[H])(OCc1ccc(cc1)OC)[H])(OC)[H])OC |
| SPLASH | splash10-00di-0900000000-130664f280145a4b934d |
| Source of Spectrum | U-1995-808-4 |
| Synonyms | 5-O-(4'-Methoxybenzyl)-3-methylsoraphene |
| Wiley ID | 766758 |